Monomers
Triallyl citrate
Identifiers
IUPAC name
tris(prop-2-enyl) 2-hydroxypropane-1,2,3-tricarboxylate
InchI
InChI=1S/C15H20O7/c1-4-7-20-12(16)10-15(19,14(18)22-9-6-3)11-13(17)21-8-5-2/h4-6,19H,1-3,7-11H2
InchI Key
PLCFYBDYBCOLSP-UHFFFAOYSA-N
SMILES
C=CCOC(=O)C(CC(=O)OCC=C)(CC(=O)OCC=C)O
Canonical SMILES
C=CCOC(=O)CC(CC(=O)OCC=C)(C(=O)OCC=C)O
Isomeric SMILES
C=CCOC(=O)CC(CC(=O)OCC=C)(C(=O)OCC=C)O
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C15H20O7
Heavy Atom Count
22
Molecular Weight
312.318
Exact Molecular Weight
312.1209
Valence Electrons
122
Radical Electrons
0
tPSA
99.13
MolLogP
0.6853
H Bond Acceptors
7
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
42 41 0 0 0 0 0 0 0 0999 V2000
-3.8384 -4.6889 1.4479 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9716 -3.4695 0.9876 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1457 -3.0535 -0.2136 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3724 -1.9716 0.2278 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4411 -1.2643 -0.4889 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2031 -1.5691 -1.6656 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7021 -0.1162 0.1517 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7116 -0.3920 0.4422 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6616 -0.7224 -0.5822 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1229 0.1284 -1.3783 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1218 -2.0365 -0.7282 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0893 -2.3939 -1.7052 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4012 -1.7412 -1.3965 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6273 -0.9591 -0.3631 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0500 1.1295 -0.5910 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4347 2.3622 -0.0493 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7905 2.5496 -0.0603 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2127 3.3759 0.4973 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7589 4.5874 1.0283 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0421 5.3933 0.0531 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1806 5.8141 0.0895 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2902 0.0765 1.4594 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1518 -5.3685 0.9833 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4267 -5.0061 2.2997 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6331 -2.7733 1.4396 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5886 -3.8969 -0.6384 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9432 -2.7294 -0.9644 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7113 -1.1633 1.2956 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0941 0.5405 0.9745 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2643 -3.4574 -1.6301 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8159 -2.1588 -2.7315 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1873 -1.9407 -2.0926 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6343 -0.5423 -0.2487 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9068 -0.6844 0.4116 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9278 1.0357 -1.6920 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1735 1.2656 -0.4545 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1133 4.3990 1.9310 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6589 5.1519 1.3998 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6638 5.6937 -0.8699 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0961 6.1123 0.1478 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3747 5.2840 1.3616 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0477 -0.8003 1.9151 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 1 0
4 5 1 0
5 6 2 0
5 7 1 0
7 8 1 0
8 9 1 0
9 10 2 0
9 11 1 0
11 12 1 0
12 13 1 0
13 14 2 3
7 15 1 0
15 16 1 0
16 17 2 0
16 18 1 0
18 19 1 0
19 20 1 0
20 21 2 3
7 22 1 0
1 23 1 0
1 24 1 0
2 25 1 0
3 26 1 0
3 27 1 0
8 28 1 0
8 29 1 0
12 30 1 0
12 31 1 0
13 32 1 0
14 33 1 0
14 34 1 0
15 35 1 0
15 36 1 0
19 37 1 0
19 38 1 0
20 39 1 0
21 40 1 0
21 41 1 0
22 42 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers